CID 136072234

1247053-47-9

Structural Information

Molecular Formula
C4H6N2O3
SMILES
COCC1=NOC(=O)N1
InChI
InChI=1S/C4H6N2O3/c1-8-2-3-5-4(7)9-6-3/h2H2,1H3,(H,5,6,7)
InChIKey
RVSUCFJJODWCJV-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-4H-1,2,4-oxadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

130.03784 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.04512 120.0
[M+Na]+ 153.02706 130.1
[M-H]- 129.03056 120.8
[M+NH4]+ 148.07166 139.3
[M+K]+ 169.00100 130.4
[M+H-H2O]+ 113.03510 113.8
[M+HCOO]- 175.03604 142.7
[M+CH3COO]- 189.05169 165.4
[M+Na-2H]- 151.01251 128.0
[M]+ 130.03729 122.5
[M]- 130.03839 122.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe